1,4-Bis(4-bromophenyl)-1,4-butanedione - CAS 2461-83-8
Catalog: |
BB073180 |
Product Name: |
1,4-Bis(4-bromophenyl)-1,4-butanedione |
CAS: |
2461-83-8 |
Synonyms: |
1,2-Bis(4-bromobenzoyl)ethane; 1,4-Bis(p-bromophenyl)-1,4-butanedione; NSC 222 |
IUPAC Name: | 1,4-bis(4-bromophenyl)butane-1,4-dione |
Description: | Used in the preparation of Furamidine (F863600) an antimicrobial and antiparasitic agent. |
Molecular Weight: | 396.07 |
Molecular Formula: | C16H12Br2O2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CCC(=O)C2=CC=C(C=C2)Br)Br |
InChI: | InChI=1S/C16H12Br2O2/c17-13-5-1-11(2-6-13)15(19)9-10-16(20)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
InChI Key: | VOJRFGKKQMVGPH-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | White Solid |
Storage: | -20°C Freezer |
References: | Das, B.P. & Boykin, D.W., J. Med. Chem., 20, 531 (1977). |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 395.91836 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 393.9204 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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